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CAS 33662-26-9 BOC-THR-OBZL molecular structure lightbox
CAS RN: 33662-26-9

BOC-THR-OBZL

  • Product code: SSC-139815
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 33662-26-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

33662-26-9 / benzyl (2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Standard CAS: 33662-26-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
33662-26-9
Multi CAS
Yes
Molecular Formula
C16H23NO5
Molecular Weight
309.360000
Exact Mass
309.157623
InChI
InChI=1S/C16H23NO5/c1-11(18)13(17-15(20)22-16(2,3)4)14(19)21-10-12-8-6-5-7-9-12/h5-9,11,13,18H,10H2,1-4H3,(H,17,20)/t11-,13+/m1/s1
InChIKey
FHOGXXUNJQGWOP-YPMHNXCESA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
81.08
TPSA
84.86

LogP / Solubility

WLOGP
2
MLOGP
1.78
XLogP3
2.1
Consensus LogP
1.96
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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